N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide

C17H32N2O3S — CID 119803178

IUPACN-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)C1CCCCC1S(C)(=O)=O)C1CCCNC1
InChIInChI=1S/C17H32N2O3S/c1-13(14-7-6-10-18-12-14)11-17(20)19(2)15-8-4-5-9-16(15)23(3,21)22/h13-16,18H,4-12H2,1-3H3
InChIKeyNOZVONQWUVGKCL-UHFFFAOYSA-N
MW344.52 g/mol
LogP1.83
Rot. Bonds5

About N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide

N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide (PubChem CID 119803178) has the molecular formula C17H32N2O3S and a molecular weight of 344.52 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide
PubChem CID119803178
Molecular FormulaC17H32N2O3S
Molecular Weight344.52 g/mol
Exact Mass344.21
IUPAC NameN-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)N(C)C1CCCCC1S(C)(=O)=O)C1CCCNC1
InChIInChI=1S/C17H32N2O3S/c1-13(14-7-6-10-18-12-14)11-17(20)19(2)15-8-4-5-9-16(15)23(3,21)22/h13-16,18H,4-12H2,1-3H3
InChIKeyNOZVONQWUVGKCL-UHFFFAOYSA-N
XLogP1.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.52
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
N-methyl-3-piperidin-3-yl-N-propylbutanamide
CID 81043827
N-methyl-3-piperidin-3-yl-N-(1-propylpiperidin-4-yl)butanamide
CID 119859562
N-(2-amino-2-oxoethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81044730
3-piperidin-3-yl-N-propan-2-yl-N-propylbutanamide
CID 81043730
N-(2,2-difluoroethyl)-N-methyl-3-piperidin-3-ylbutanamide
CID 115738604
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
2-[cyclopentyl(3-piperidin-3-ylbutanoyl)amino]acetic acid
CID 81048851
3-piperidin-3-yl-N-propan-2-yl-N-prop-2-enylbutanamide
CID 81044014
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-ethyl-N-(1-ethylsulfonylpropan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119786203

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide (CID 119803178) is N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)N(C)C1CCCCC1S(C)(=O)=O)C1CCCNC1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide?
The InChIKey is NOZVONQWUVGKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3S/c1-13(14-7-6-10-18-12-14)11-17(20)19(2)15-8-4-5-9-16(15)23(3,21)22/h13-16,18H,4-12H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide?
N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide has a molecular weight of 344.52 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylcyclohexyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119803178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).